Diprotrizoic acid
2,4,6-triiodo-3,5-bis(propanoylamino)benzoic acid
CAS: 85-16-5
| Molecular Formula | C13H13I3N2O4 |
|---|---|
| Molecular Weight | 641.97 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 95.5 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 641.8009 |
| Heavy Atoms | 22 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 85-16-5 |
|---|---|
| SMILES | CCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CC)I |
| InChIKey | OIXRDAZPDINJPT-UHFFFAOYSA-N |
📖 Product Overview
Diprotrizoic acid (CAS: 85-16-5) is a chemical compound with molecular formula C13H13I3N2O4 and molecular weight 641.97 g/mol. Its IUPAC systematic name is 2,4,6-triiodo-3,5-bis(propanoylamino)benzoic acid.
OIXRDAZPDINJPT-UHFFFAOYSA-N.
SMILES: CCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CC)I.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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